N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-ethyl-1H-imidazol-1-yl)propanamide

• ChemBase ID: 605922
• Molecular Formular: C15H23N5O
• Molecular Mass: 289.37602
• Monoisotopic Mass: 289.19026038
• SMILES: n1[nH]c(c(c1C)CCNC(=O)CCn1c(ncc1)CC)C
• Canonical SMILES: CCc1nccn1CCC(=O)NCCc1c(C)n[nH]c1C
• InChI: InChI=1S/C15H23N5O/c1-4-14-16-8-10-20(14)9-6-15(21)17-7-5-13-11(2)18-19-12(13)3/h8,10H,4-7,9H2,1-3H3,(H,17,21)(H,18,19)
• InChIKey: LZTNOXUYRKUSMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-ethyl-1H-imidazol-1-yl)propanamide
• IUPAC Traditional name: N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-ethylimidazol-1-yl)propanamide
• Synonyms: N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-ethyl-1H-imidazol-1-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.04349
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.31531656
• LogD (pH = 7.4): 0.4850485
• Log P: 0.68203175
• Molar Refractivity: 83.2762 cm^3
• Polarizability: 31.096724 Å^3
• Polar Surface Area: 75.6 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.63
• LOG S: -1.85
• Polar Surface Area: 75.6 Å^2
• Rotatable Bonds: 7